Geometry & MOs

Info

ID:

148798

PubChem CID:

53788467

Reduced:

NOF4C25H31 (1)

Stoich.:

ABC4D25E31 (1)

Weight, g/mol:

678.213735

ΔHf, kcal/mol:

-233.17

Dipole, Da:

3.73

IP(EA), eV:

 -8.87(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[4-[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-6-[3-(dimethylcarbamoyl)phenoxy]-3,5-difluoropyridin-4-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCN1CC[C@@H]([C@H](C1)COCC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)F

DOS

IR

Vibrations